Glycoside
GD014271
Name:
NoneFormula:
C40H74O12N2Smiles:
CCC1N[C@@H]2[C@H](C)[C@H](O1)[C@@](C)(O)[C@H](CC)OC(=O)[C@H](C)[C@H](OC1CC(C)(OC)C(O)C(C)O1)[C@H](C)[C@H](OC1OC(C)CC(N(C)C)C1O)[C@@](C)(O)C[C@H]2CAglycone:
CCC1NC2C(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O1)C2CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 775.03 | Num_heavy_atoms: | 54 |
| TPSA: | 177.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD10517
Formula: C32H60O9N2
Smiles:
CCC1NC2C(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O1)C2C| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 616.84 | Num_heavy_atoms: | 43 |
| TPSA: | 150.18 | NumAromaticRings: | 0 |
